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PUBCHEM-ZINC06067574 |
MMsINC code: MMs03520523 |
Type: Neutral Formula: C25H40O4
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Potential Energy Epot(MMFF94)=149.804 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 404.591 g/mol | logS: -4.22775 | SlogP: 4.4475 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0940427 | Sterimol/B1: 3.71525 | Sterimol/B2: 5.24276 | Sterimol/B3: 5.621 | |||
Sterimol/B4: 6.45454 | Sterimol/L: 18.8257 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 726.637 | Positive charged surface: 537.119 | Negative charged surface: 189.518 | Volume: 425.375 | |||
Hydrophobic surface: 515.927 | Hydrophilic surface: 210.71 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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